TL;DR: 1H-Phosphole, 2,5-dimethyl-1-phenyl- (CAS 13904-58-0) is a chemical compound with molecular formula C12H13P and molecular weight 188.07549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-1-phenylphosphole
Also Known As: 2,5-dimethyl-1-phenylphosphole, 1H-Phosphole, 2,5-dimethyl-1-phenyl-, 1H-Phosphole,2,5-dimethyl-1-phenyl-, 2,5-dimethyl-1-phenyl-1H-phosphole, 1-Phenyl-2,5-dimethyl-1H-phosphole
| Molecular Formula | C12H13P |
| Molecular Weight | 188.07549 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.07549 Da |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
| SMILES | CC1=CC=C(P1C2=CC=CC=C2)C |
| InChIKey | HRRLZGXTMAMSCH-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Phosphole, 2,5-dimethyl-1-phenyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1H-Phosphole, 2,5-dimethyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Phosphole, 2,5-dimethyl-1-phenyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Phosphole, 2,5-dimethyl-1-phenyl- is 13904-58-0.
The molecular formula of 1H-Phosphole, 2,5-dimethyl-1-phenyl- is C12H13P.
The molecular weight of 1H-Phosphole, 2,5-dimethyl-1-phenyl- is 188.07549 g/mol.
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